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(E)-3-BENZYL-3-(TRIFLUOROMETHYL)-NON-5-EN-2-ONE
SpectraBase Compound ID JgzngctvfkB
InChI InChI=1S/C17H21F3O/c1-3-4-5-9-12-16(14(2)21,17(18,19)20)13-15-10-7-6-8-11-15/h5-11H,3-4,12-13H2,1-2H3/b9-5+
InChIKey OQVDYGDHAYFMHD-WEVVVXLNSA-N
Mol Weight 298.35 g/mol
Molecular Formula C17H21F3O
Exact Mass 298.15445 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EaGjcYAOzhE
Name (E)-3-BENZYL-3-(TRIFLUOROMETHYL)-NON-5-EN-2-ONE
Compound Number 5I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21F3O
InChI InChI=1S/C17H21F3O/c1-3-4-5-9-12-16(14(2)21,17(18,19)20)13-15-10-7-6-8-11-15/h5-11H,3-4,12-13H2,1-2H3/b9-5+
InChIKey OQVDYGDHAYFMHD-WEVVVXLNSA-N
Literature Reference Author K.SATO,Y.ATKIGUCHI,Y.YOSHIZAWA,K.IWASE,Y.SHIMIZU,A.TARUI,M.O MOTE,I.KUMADAKI,A.AN
Literature Reference Citation CHEM.PHARM.BULL.,55,1593(2007)
Literature Reference DOI 10.1248/cpb.55.1593
Solvent CDCl3
Source File Reference UWLU56636